2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-2-methylpropanamide

C11H12BrF3N2O4S — CID 141430379

IUPAC2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-2-methylpropanamide
SMILESCC(C)(NS(=O)(=O)c1ccc(Br)cc1OC(F)(F)F)C(N)=O
InChIInChI=1S/C11H12BrF3N2O4S/c1-10(2,9(16)18)17-22(19,20)8-4-3-6(12)5-7(8)21-11(13,14)15/h3-5,17H,1-2H3,(H2,16,18)
InChIKeyRNUCZWLOUUDCHI-UHFFFAOYSA-N
MW405.19 g/mol
LogP1.89
Rot. Bonds5

About 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-2-methylpropanamide

2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-2-methylpropanamide (PubChem CID 141430379) has the molecular formula C11H12BrF3N2O4S and a molecular weight of 405.19 g/mol. Its IUPAC name is 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-2-methylpropanamide
PubChem CID141430379
Molecular FormulaC11H12BrF3N2O4S
Molecular Weight405.19 g/mol
Exact Mass403.97
IUPAC Name2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-2-methylpropanamide
SMILESCC(C)(NS(=O)(=O)c1ccc(Br)cc1OC(F)(F)F)C(N)=O
InChIInChI=1S/C11H12BrF3N2O4S/c1-10(2,9(16)18)17-22(19,20)8-4-3-6(12)5-7(8)21-11(13,14)15/h3-5,17H,1-2H3,(H2,16,18)
InChIKeyRNUCZWLOUUDCHI-UHFFFAOYSA-N
XLogP1.89
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.19
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-4-bromo-2-(trifluoromethoxy)benzenesulfonamide
CID 20815752
4-bromo-N-(3,5-dimethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 3740454
4-bromo-N-(3-hydroxy-2,2-dimethylpropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 3768511
tert-butyl N-[2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]carbamate
CID 162639899
4-bromo-N-(2,2-dimethoxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 3866448
4-bromo-N-(2-tert-butylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 3861912
4-bromo-N-(3-methylsulfonylpropyl)-2-(trifluoromethoxy)aniline
CID 103193082
4-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbenzenesulfonamide
CID 3771585
4-bromo-N-(4-butanoylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 5220861
4-bromo-N-[1-(4-methoxyphenyl)ethyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 4997303
3-[4-bromo-2-(trifluoromethoxy)anilino]-2-methylpropanamide
CID 103193128
4-bromo-2-(trifluoromethoxy)-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 3855771

Frequently Asked Questions

What is the IUPAC name of 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-2-methylpropanamide?
The IUPAC name of 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-2-methylpropanamide (CID 141430379) is 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-2-methylpropanamide.
What is the SMILES notation for 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-2-methylpropanamide?
The canonical SMILES for 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-2-methylpropanamide is CC(C)(NS(=O)(=O)c1ccc(Br)cc1OC(F)(F)F)C(N)=O.
What is the InChIKey of 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-2-methylpropanamide?
The InChIKey is RNUCZWLOUUDCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3N2O4S/c1-10(2,9(16)18)17-22(19,20)8-4-3-6(12)5-7(8)21-11(13,14)15/h3-5,17H,1-2H3,(H2,16,18).
What are the key properties of 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-2-methylpropanamide?
2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-2-methylpropanamide has a molecular weight of 405.19 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-2-methylpropanamide is sourced from PubChem (CID 141430379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).